(3β)-3-Hydroxylanosta-8,24-Dien-30-Oic Acid

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Properties Simple | Detailed

Formula C30H18O3
IUPAC Name (3s,5r,10s,13r,14s,17r)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-14-carboxylic acid
Molecular Mass 426.462 g·mol−1
Heat of Formation 3716.6 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 488.53 Å 3
Surface Area 417.17 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhex-4-enyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-14-carboxylic acid
InChIKey HVQPUBROUXVNPN-GIICLEHTSA-N
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